ethyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H16N6O8S MolecularWeight: 440.38794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C15H16N6O8S/c1-4-29-15(24)9-6(2)11(12(16)23)30-14(9)17-8(22)5-19-7(3)10(20(25)26)13(18-19)21(27)28/h4-5H2,1-3H3,(H2,16,23)(H,17,22)